trifluoromethyl 3-acetamido-4-[bis(azanyl)methylideneamino]-2-(2-ethylbutanoyl)-4,5-dihydro-3H-pyridazine-6-carboxylate

Systemtic Name: trifluoromethyl 3-acetamido-4-[bis(azanyl)methylideneamino]-2-(2-ethylbutanoyl)-4,5-dihydro-3H-pyridazine-6-carboxylate Openeye Name: trifluoromethyl 3-acetamido-2-(2-ethylbutanoyl)-4-guanidino-4,5-dihydro-3H-pyridazine-6-carboxylate CAS Name: 3-acetamido-4-(diaminomethylideneamino)-2-(2-ethyl-1-oxobutyl)-4,5-dihydro-3H-pyridazine-6-carboxylic acid trifluoromethyl ester IUPAC Name: trifluoromethyl 3-acetamido-4-(diaminomethylideneamino)-2-(2-ethylbutanoyl)-4,5-dihydro-3H-pyridazine-6-carboxylate Traditional Name: 3-acetamido-2-(2-ethylbutanoyl)-4-guanidino-4,5-dihydro-3H-pyridazine-6-carboxylic acid trifluoromethyl ester Formula: C15H23F3N6O4 MolecularWeight: 408.37613

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1C(C(CC(=N1)C(=O)OC(F)(F)F)N=C(N)N)NC(=O)C

Isomeric SMILES

CCC(CC)C(=O)N1C(C(CC(=N1)C(=O)OC(F)(F)F)N=C(N)N)NC(=O)C

InChI

InChI=1S/C15H23F3N6O4/c1-4-8(5-2)12(26)24-11(21-7(3)25)9(22-14(19)20)6-10(23-24)13(27)28-15(16,17)18/h8-9,11H,4-6H2,1-3H3,(H,21,25)(H4,19,20,22)